Molecule

ID:122

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₃
Molecular Mass
212.24564
Exact Mass
212.11609238
Charge
0
InChI
InChI=1S/C10H16N2O3/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey
ZRIHAIZYIMGOAB-UHFFFAOYSA-N
Canonic Smiles
CCC(C1(CC)C(=O)NC(=O)NC1=O)C
Isomeric Smiles
O=C1NC(=O)NC(=O)C1(C(CC)C)CC
Calculated Properties
JChem
LogD (pH = 7.4)
1.19
LogD (pH = 5.5)
1.44
Log P
1.45
Rotatable Bonds
3
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.48
Polar Surface Area
75.27
Polarizability
21.41
Molar Refractivity
53.40
LOG S
-2.57
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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